(2Z)-N-(4-fluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)acetamide

C19H19FN2O — CID 2358826

IUPAC(2Z)-N-(4-fluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)acetamide
SMILESCN1/C(=C\C(=O)Nc2ccc(F)cc2)C(C)(C)c2ccccc21
InChIInChI=1S/C19H19FN2O/c1-19(2)15-6-4-5-7-16(15)22(3)17(19)12-18(23)21-14-10-8-13(20)9-11-14/h4-12H,1-3H3,(H,21,23)/b17-12-
InChIKeyFOKJVGKEBUGYSA-ATVHPVEESA-N
MW310.37 g/mol
LogP4.08
Rot. Bonds2

About (2Z)-N-(4-fluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)acetamide

(2Z)-N-(4-fluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)acetamide (PubChem CID 2358826) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is (2Z)-N-(4-fluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-N-(4-fluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)acetamide
PubChem CID2358826
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name(2Z)-N-(4-fluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)acetamide
SMILESCN1/C(=C\C(=O)Nc2ccc(F)cc2)C(C)(C)c2ccccc21
InChIInChI=1S/C19H19FN2O/c1-19(2)15-6-4-5-7-16(15)22(3)17(19)12-18(23)21-14-10-8-13(20)9-11-14/h4-12H,1-3H3,(H,21,23)/b17-12-
InChIKeyFOKJVGKEBUGYSA-ATVHPVEESA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(4-fluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)acetamide?
The IUPAC name of (2Z)-N-(4-fluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)acetamide (CID 2358826) is (2Z)-N-(4-fluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)acetamide.
What is the SMILES notation for (2Z)-N-(4-fluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)acetamide?
The canonical SMILES for (2Z)-N-(4-fluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)acetamide is CN1/C(=C\C(=O)Nc2ccc(F)cc2)C(C)(C)c2ccccc21.
What is the InChIKey of (2Z)-N-(4-fluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)acetamide?
The InChIKey is FOKJVGKEBUGYSA-ATVHPVEESA-N. The full InChI is InChI=1S/C19H19FN2O/c1-19(2)15-6-4-5-7-16(15)22(3)17(19)12-18(23)21-14-10-8-13(20)9-11-14/h4-12H,1-3H3,(H,21,23)/b17-12-.
What are the key properties of (2Z)-N-(4-fluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)acetamide?
(2Z)-N-(4-fluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)acetamide has a molecular weight of 310.37 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(4-fluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)acetamide is sourced from PubChem (CID 2358826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).